methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate

C20H29N3O5S — CID 2082059

IUPACmethyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O5S/c1-28-20(25)22-17-9-11-18(12-10-17)29(26,27)23-13-5-6-15(14-23)19(24)21-16-7-3-2-4-8-16/h9-12,15-16H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyHZIXZGKARTWZCL-OAHLLOKOSA-N
MW423.54 g/mol
LogP2.71
Rot. Bonds5

About methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 2082059) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
PubChem CID2082059
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Namemethyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O5S/c1-28-20(25)22-17-9-11-18(12-10-17)29(26,27)23-13-5-6-15(14-23)19(24)21-16-7-3-2-4-8-16/h9-12,15-16H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyHZIXZGKARTWZCL-OAHLLOKOSA-N
XLogP2.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
methyl N-[4-[(3R)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190354
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 42223979
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
methyl N-[4-[(3R)-3-[methyl(phenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190338

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate (CID 2082059) is methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1.
What is the InChIKey of methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is HZIXZGKARTWZCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-28-20(25)22-17-9-11-18(12-10-17)29(26,27)23-13-5-6-15(14-23)19(24)21-16-7-3-2-4-8-16/h9-12,15-16H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 423.54 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 2082059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).